Mol:FL5FF8NS0008
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -1.7289 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7289 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1726 -1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6163 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6163 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1726 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 -1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4963 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4963 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 0.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 -1.6148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0524 0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6194 -0.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1863 0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1863 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6194 1.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0524 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0524 -1.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1726 -1.7561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1726 0.8129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7179 1.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2278 1.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7179 1.7561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4856 1.1526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0862 0.4683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5863 1.3343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 8 18 1 0 0 0 0 3 19 1 0 0 0 0 6 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 17 24 1 0 0 0 0 1 25 1 0 0 0 0 25 26 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 25 26 M SBL 1 1 27 M SMT 1 OCH3 M SVB 1 27 -2.0862 0.4683 S SKP 8 ID FL5FF8NS0008 KNApSAcK_ID C00004921 NAME 3,5,8,2'-Tetrahydroxy-7-methoxyflavone 8-acetate CAS_RN 112161-56-5 FORMULA C18H14O8 EXACTMASS 358.068867424 AVERAGEMASS 358.29896 SMILES c(c21)(O)cc(c(c(OC(c(c3)c(O)ccc3)=C(C2=O)O)1)OC(C)=O)OC M END
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